• Formula : V2Cd2O7
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.5974
    b = 6.8994
    c = 6.9961
    α = 83.325
    β = 63.898
    γ = 80.145
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 184
  • Band gap = 2.6196 eV
    Direct Gap = 2.644 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    A triclinic polymorph of dicadmium divanadate(V),
    Acta Crystallographica Section E 69, i79 (2013)

Band structure with spin-orbit coupling